2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one

C16H12ClN3O — CID 56622267

IUPAC2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
SMILESO=C1C(c2ccc(Cl)cc2)NC2=CN=C3C=CC=CC3N12
InChIInChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H
InChIKeyDIBFXQPLRWYPHE-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one

2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one (PubChem CID 56622267) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
PubChem CID56622267
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
SMILESO=C1C(c2ccc(Cl)cc2)NC2=CN=C3C=CC=CC3N12
InChIInChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H
InChIKeyDIBFXQPLRWYPHE-UHFFFAOYSA-N
XLogP2.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one (CID 56622267) is 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one is O=C1C(c2ccc(Cl)cc2)NC2=CN=C3C=CC=CC3N12.
What is the InChIKey of 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The InChIKey is DIBFXQPLRWYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H.
What are the key properties of 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one has a molecular weight of 297.75 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 56622267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).